! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
Cl   0.6828169160  -0.1184057922   2.1589211114
Cl   4.1998364211  -2.2066047529  -1.2340823129
O   -2.0958792045  -0.1576203433  -1.3872787634
O   -1.8652822064   0.0285154038   0.8102787572
N   -0.2892460078   2.4861343597   0.3666843414
N    1.0173211607   2.6297960983   0.1318136137
N    0.4824644091   3.4761219087   2.1331489856
C   -1.2365811317   0.3205417775  -0.3917189405
C   -2.8516463705  -1.2477390580  -0.8544984901
C   -2.4602005923  -1.2436490366   0.6310562473
C   -1.1601680927   1.8391468717  -0.5768208911
C    0.1383129200  -0.3420215236  -0.5252278739
C   -4.3277461066  -1.0121570892  -1.1191632961
C   -5.1751532405  -2.2232642399  -0.7611136864
C    1.0317666566  -0.5569242704   0.5222008874
C    0.5575756306  -0.7136438754  -1.8011643223
C    2.2759739413  -1.1359540143   0.3101982003
C    1.7959961949  -1.2810567075  -2.0421031442
C   -0.5929623556   2.9907389211   1.5652587396
C    2.6479317734  -1.4921729649  -0.9725732606
C    1.4390452212   3.2240627221   1.2175880210
H   -2.5325583024  -2.1785898999  -1.3355276146
H   -3.3111267553  -1.3229010275   1.3079069470
H   -1.7574977920  -2.0487248028   0.8693362775
H   -2.1621166822   2.2550563687  -0.4662607665
H   -0.8074244824   2.0699272259  -1.5811695256
H   -4.4622816902  -0.7775465988  -2.1780843240
H   -4.6620418366  -0.1361910316  -0.5551258433
H   -4.8722925065  -3.1039835708  -1.3302394729
H   -5.1062047480  -2.4765812758   0.2984914904
H   -6.2269334206  -2.0384436006  -0.9796064280
H   -0.1030146839  -0.5564879449  -2.6425917964
H    2.9457363777  -1.2993063345   1.1429144632
H    2.0838768538  -1.5529970271  -3.0481916498
H   -1.5935867852   2.9897771115   1.9677308576
H    2.4749077152   3.4958276466   1.3501642990
*